General Information of the Compound
| Compound ID |
CP0485012
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| Compound Name |
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide
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| Structure |
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| Formula |
C26H22FN5O
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| Molecular Weight |
439.494
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| Canonical SMILES |
CC1=C(C(NC(=N1)c1ccc(C)cc1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C26H22FN5O/c1-15-3-5-18(6-4-15)25-29-16(2)23(24(31-25)17-7-9-20(27)10-8-17)26(33)30-21-11-12-22-19(13-21)14-28-32-22/h3-14,24H,1-2H3,(H,28,32)(H,29,31)(H,30,33)
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| InChIKey |
SQTRIOMOPSFYQU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound